SCHEMBL2242247

SCHEMBL2242247

NC(=O)c1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.50
ATF1 P18846 1/20 0.48
NFKB1 P19838 1/20 0.48
PARP1 P09874 1/20 0.46
GAA P10253 3/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACLY P53396 1/20 0.43
DDR1 Q08345 5/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SLC13A3 Q8WWT9 1/20 0.41
DHODH Q02127 1/20 0.41
CNR1 P21554 1/20 0.40
MEN1 O00255 1/20 0.40
PLA2G1B P04054 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL627995 0.86 CES2 (0.67) CES2ATF1NFKB1GAALMNA
SCHEMBL980627 0.85 CES2 (0.50) CES2GAAACLYDDR1HDAC3
Hydrochloric Acid SCHEMBL4372326 0.84 CES2 (0.64) CES2ATF1NFKB1GAALMNA
Hydrochloric Acid SCHEMBL4027010 0.84 CES2 (0.64) CES2ATF1NFKB1GAALMNA
SCHEMBL28963158 0.83 CES2 (0.48) CES2GAAACLYDDR1HDAC3
SCHEMBL29556456 0.82 TPMT (0.61) CES2ACLYDDR1HDAC3HDAC1
SCHEMBL1792413 0.82 CES2 (0.52) CES2GAAACLYDDR1HDAC3
SCHEMBL978457 0.82 TPMT (0.61) CES2ACLYDDR1HDAC3HDAC1
SCHEMBL8170162 0.81 CES2 (0.43) CES2GAALMNAPOLBMAPT
SCHEMBL17896313 0.81 PARP1 (0.46) PARP1GAALMNAPOLBNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024175804-A1 NUCLEAR TRANSPORT MODULATORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2024-08-29 WO disclosed
EP-4041721-A1 NOVEL HETEROARYL-TRIAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2022-08-17 EP disclosed
EP-3919486-A1 NOVEL HETEROARYL-TRIAZOLE AND HETEROARYL-TETRAZOLE COMPOUNDS AS PESTICIDES Bayer Aktiengesellschaft (DE) 2021-12-08 EP disclosed
WO-2021069575-A1 HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-04-15 WO disclosed
WO-2021068179-A1 NOVEL HETEROARYL-SUBSTITUTED PYRAZINE DERIVATIVES AS PESTICIDES BAYER ANIMAL HEALTH GMBH (DE) 2021-04-15 WO disclosed
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA F. HOFFMANN-LA ROCHE AG (CH) 2011-08-11 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110195979-A1 COMPOUNDS FOR THE TREATMENT AND PREVENTION OF INFLUENZA NAT1, NHERF1, ADORA1 CES2 2905/4885ATF1 695/4885NFKB1 1027/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.